Geometry & MOs

Info

ID:

172301

PubChem CID:

75491535

Reduced:

N3O7C34H41 (1)

Stoich.:

A3B7C34D41 (1)

Weight, g/mol:

436.13176

ΔHf, kcal/mol:

-223.3

Dipole, Da:

6.04

IP(EA), eV:

 -8.26(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S)-3-(2-methylsulfanylethyl)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)O)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations